benzyl 2-[[6-(dimethylamino)pyrimidin-4-yl]amino]acetate

C15H18N4O2 — CID 122282164

IUPACbenzyl 2-[[6-(dimethylamino)pyrimidin-4-yl]amino]acetate
SMILESCN(C)c1cc(NCC(=O)OCc2ccccc2)ncn1
InChIInChI=1S/C15H18N4O2/c1-19(2)14-8-13(17-11-18-14)16-9-15(20)21-10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,16,17,18)
InChIKeyUUHIMGMQYADYKN-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.70
Rot. Bonds6

About benzyl 2-[[6-(dimethylamino)pyrimidin-4-yl]amino]acetate

benzyl 2-[[6-(dimethylamino)pyrimidin-4-yl]amino]acetate (PubChem CID 122282164) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is benzyl 2-[[6-(dimethylamino)pyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[6-(dimethylamino)pyrimidin-4-yl]amino]acetate
PubChem CID122282164
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Namebenzyl 2-[[6-(dimethylamino)pyrimidin-4-yl]amino]acetate
SMILESCN(C)c1cc(NCC(=O)OCc2ccccc2)ncn1
InChIInChI=1S/C15H18N4O2/c1-19(2)14-8-13(17-11-18-14)16-9-15(20)21-10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,16,17,18)
InChIKeyUUHIMGMQYADYKN-UHFFFAOYSA-N
XLogP1.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate
CID 126849644
methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate
CID 115264955
N-[6-(benzylamino)pyrimidin-4-yl]-N-methylnitrous amide
CID 102450371
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CID 10623339
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
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CID 142836612
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CID 162365695
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CID 162413973
2-[(3-oxo-3-phenylmethoxypropanoyl)amino]acetic acid
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CID 60550544

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[6-(dimethylamino)pyrimidin-4-yl]amino]acetate?
The IUPAC name of benzyl 2-[[6-(dimethylamino)pyrimidin-4-yl]amino]acetate (CID 122282164) is benzyl 2-[[6-(dimethylamino)pyrimidin-4-yl]amino]acetate.
What is the SMILES notation for benzyl 2-[[6-(dimethylamino)pyrimidin-4-yl]amino]acetate?
The canonical SMILES for benzyl 2-[[6-(dimethylamino)pyrimidin-4-yl]amino]acetate is CN(C)c1cc(NCC(=O)OCc2ccccc2)ncn1.
What is the InChIKey of benzyl 2-[[6-(dimethylamino)pyrimidin-4-yl]amino]acetate?
The InChIKey is UUHIMGMQYADYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-19(2)14-8-13(17-11-18-14)16-9-15(20)21-10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of benzyl 2-[[6-(dimethylamino)pyrimidin-4-yl]amino]acetate?
benzyl 2-[[6-(dimethylamino)pyrimidin-4-yl]amino]acetate has a molecular weight of 286.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[6-(dimethylamino)pyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 122282164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).